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1H-isoindole-4-carboxylic acid, 2-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-3-oxo-, methyl ester
SpectraBase Compound ID K0YPAkGAJRR
InChI InChI=1S/C17H13ClFNO3/c1-23-17(22)11-5-2-4-10-8-20(16(21)15(10)11)9-12-13(18)6-3-7-14(12)19/h2-7H,8-9H2,1H3
InChIKey UJZLWLOBQNWFLJ-UHFFFAOYSA-N
Mol Weight 333.75 g/mol
Molecular Formula C17H13ClFNO3
Exact Mass 333.056799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2S7GL5W8lH
Name 1H-Isoindole-4-carboxylic acid, 2-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-3-oxo-, methyl ester
Alternate Name(s) 2-(2-Chloro-6-fluoro-benzyl)-3-keto-isoindoline-4-carboxylic acid methyl ester 2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1H-isoindole-4-carboxylic acid methyl ester Methyl 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1H-isoindole-4-carboxylate Methyl 2-[(2-chloro-6-fluoro-phenyl)methyl]-3-oxo-isoindoline-4-carboxylate Methyl 2-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1H-isoindole-4-carboxylate
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Formula C17H13ClFNO3
InChI InChI=1S/C17H13ClFNO3/c1-23-17(22)11-5-2-4-10-8-20(16(21)15(10)11)9-12-13(18)6-3-7-14(12)19/h2-7H,8-9H2,1H3
InChIKey UJZLWLOBQNWFLJ-UHFFFAOYSA-N
Molecular Weight 333.746 g/mol
SMILES COC(c1c2C(N(Cc3c(Cl)cccc3F)Cc2ccc1)=O)=O
SPLASH splash10-0002-7890000000-37507a761cea24182449
Wiley ID 1449014